8VPC
UIC-13-BIF extension of UIC-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-02-15 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.729250 |
Spacegroup name | P 1 |
Unit cell lengths | 22.960, 23.781, 23.831 |
Unit cell angles | 103.87, 106.56, 106.46 |
Refinement procedure
Resolution | 21.380 - 0.940 |
R-factor | 0.2063 |
Rwork | 0.205 |
R-free | 0.22600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.692 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.380 | 0.974 |
High resolution limit [Å] | 0.940 | 0.940 |
Number of reflections | 24348 | 2504 |
<I/σ(I)> | 11.15 | |
Completeness [%] | 86.1 | |
Redundancy | 3.5 | |
CC(1/2) | 0.996 | 0.932 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SLOW COOLING | 298 | Acetonitrile, water |